N-cyclopropyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

C20H16N4S — CID 4781438

IUPACN-cyclopropyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2csc3nc(-c4ccccn4)nc(NC4CC4)c23)cc1
InChIInChI=1S/C20H16N4S/c1-2-6-13(7-3-1)15-12-25-20-17(15)19(22-14-9-10-14)23-18(24-20)16-8-4-5-11-21-16/h1-8,11-12,14H,9-10H2,(H,22,23,24)
InChIKeyPAZHMXDNAHWBFB-UHFFFAOYSA-N
MW344.44 g/mol
LogP4.99
Rot. Bonds4

About N-cyclopropyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

N-cyclopropyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 4781438) has the molecular formula C20H16N4S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-cyclopropyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID4781438
Molecular FormulaC20H16N4S
Molecular Weight344.44 g/mol
Exact Mass344.11
IUPAC NameN-cyclopropyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2csc3nc(-c4ccccn4)nc(NC4CC4)c23)cc1
InChIInChI=1S/C20H16N4S/c1-2-6-13(7-3-1)15-12-25-20-17(15)19(22-14-9-10-14)23-18(24-20)16-8-4-5-11-21-16/h1-8,11-12,14H,9-10H2,(H,22,23,24)
InChIKeyPAZHMXDNAHWBFB-UHFFFAOYSA-N
XLogP4.99
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 4781438) is N-cyclopropyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is c1ccc(-c2csc3nc(-c4ccccn4)nc(NC4CC4)c23)cc1.
What is the InChIKey of N-cyclopropyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PAZHMXDNAHWBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4S/c1-2-6-13(7-3-1)15-12-25-20-17(15)19(22-14-9-10-14)23-18(24-20)16-8-4-5-11-21-16/h1-8,11-12,14H,9-10H2,(H,22,23,24).
What are the key properties of N-cyclopropyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
N-cyclopropyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 344.44 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4781438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).